Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34165
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 34165 1
2 '2D 1H-1H NOESY' . . . 34165 1
3 '2D DQF-COSY' . . . 34165 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ACE H1 H 1 2.218 0.000 . . . . . . A 1 ACE H1 . 34165 1
2 . 1 1 1 1 ACE H2 H 1 2.218 0.000 . . . . . . A 1 ACE H2 . 34165 1
3 . 1 1 1 1 ACE H3 H 1 2.218 0.000 . . . . . . A 1 ACE H3 . 34165 1
4 . 1 1 2 2 ARG H H 1 8.119 0.000 . . . . . . A 2 ARG H . 34165 1
5 . 1 1 2 2 ARG HA H 1 4.157 0.000 . . . . . . A 2 ARG HA . 34165 1
6 . 1 1 2 2 ARG HB2 H 1 1.852 0.000 . . . . . . A 2 ARG HB2 . 34165 1
7 . 1 1 2 2 ARG HB3 H 1 1.852 0.000 . . . . . . A 2 ARG HB3 . 34165 1
8 . 1 1 2 2 ARG HG2 H 1 1.728 0.000 . . . . . . A 2 ARG HG2 . 34165 1
9 . 1 1 2 2 ARG HG3 H 1 1.728 0.000 . . . . . . A 2 ARG HG3 . 34165 1
10 . 1 1 2 2 ARG HD2 H 1 3.219 0.000 . . . . . . A 2 ARG HD2 . 34165 1
11 . 1 1 2 2 ARG HD3 H 1 3.219 0.000 . . . . . . A 2 ARG HD3 . 34165 1
12 . 1 1 2 2 ARG HE H 1 7.145 0.001 . . . . . . A 2 ARG HE . 34165 1
13 . 1 1 3 3 ALA H H 1 8.440 0.000 . . . . . . A 3 ALA H . 34165 1
14 . 1 1 3 3 ALA HA H 1 4.376 0.000 . . . . . . A 3 ALA HA . 34165 1
15 . 1 1 3 3 ALA HB1 H 1 1.477 0.001 . . . . . . A 3 ALA HB1 . 34165 1
16 . 1 1 3 3 ALA HB2 H 1 1.477 0.001 . . . . . . A 3 ALA HB2 . 34165 1
17 . 1 1 3 3 ALA HB3 H 1 1.477 0.001 . . . . . . A 3 ALA HB3 . 34165 1
18 . 1 1 4 4 DCY H H 1 7.852 0.000 . . . . . . A 4 DCY H . 34165 1
19 . 1 1 4 4 DCY HA H 1 4.350 0.000 . . . . . . A 4 DCY HA . 34165 1
20 . 1 1 4 4 DCY HB2 H 1 3.168 0.000 . . . . . . A 4 DCY HB2 . 34165 1
21 . 1 1 4 4 DCY HB3 H 1 3.286 0.000 . . . . . . A 4 DCY HB3 . 34165 1
22 . 1 1 5 5 ARG H H 1 8.096 0.000 . . . . . . A 5 ARG H . 34165 1
23 . 1 1 5 5 ARG HA H 1 4.181 0.000 . . . . . . A 5 ARG HA . 34165 1
24 . 1 1 5 5 ARG HB2 H 1 0.959 0.000 . . . . . . A 5 ARG HB2 . 34165 1
25 . 1 1 5 5 ARG HB3 H 1 1.137 0.000 . . . . . . A 5 ARG HB3 . 34165 1
26 . 1 1 5 5 ARG HG2 H 1 0.679 0.000 . . . . . . A 5 ARG HG2 . 34165 1
27 . 1 1 5 5 ARG HG3 H 1 0.851 0.000 . . . . . . A 5 ARG HG3 . 34165 1
28 . 1 1 5 5 ARG HD2 H 1 2.352 0.000 . . . . . . A 5 ARG HD2 . 34165 1
29 . 1 1 5 5 ARG HD3 H 1 2.565 0.002 . . . . . . A 5 ARG HD3 . 34165 1
30 . 1 1 5 5 ARG HE H 1 6.663 0.000 . . . . . . A 5 ARG HE . 34165 1
31 . 1 1 6 6 NAL H H 1 8.240 0.000 . . . . . . A 6 NAL H . 34165 1
32 . 1 1 6 6 NAL H1 H 1 7.745 0.000 . . . . . . A 6 NAL H1 . 34165 1
33 . 1 1 6 6 NAL H3 H 1 7.441 0.001 . . . . . . A 6 NAL H3 . 34165 1
34 . 1 1 6 6 NAL H4 H 1 7.797 0.000 . . . . . . A 6 NAL H4 . 34165 1
35 . 1 1 6 6 NAL H5 H 1 7.377 0.000 . . . . . . A 6 NAL H5 . 34165 1
36 . 1 1 6 6 NAL H6 H 1 7.714 0.001 . . . . . . A 6 NAL H6 . 34165 1
37 . 1 1 6 6 NAL H91 H 1 3.084 0.001 . . . . . . A 6 NAL H91 . 34165 1
38 . 1 1 6 6 NAL H92 H 1 3.255 0.000 . . . . . . A 6 NAL H92 . 34165 1
39 . 1 1 6 6 NAL HA H 1 4.919 0.003 . . . . . . A 6 NAL HA . 34165 1
40 . 1 1 7 7 HIS H H 1 8.560 0.002 . . . . . . A 7 HIS H . 34165 1
41 . 1 1 7 7 HIS HA H 1 4.561 0.002 . . . . . . A 7 HIS HA . 34165 1
42 . 1 1 7 7 HIS HB2 H 1 2.940 0.000 . . . . . . A 7 HIS HB2 . 34165 1
43 . 1 1 7 7 HIS HB3 H 1 3.422 0.000 . . . . . . A 7 HIS HB3 . 34165 1
44 . 1 1 7 7 HIS HD2 H 1 7.183 0.000 . . . . . . A 7 HIS HD2 . 34165 1
45 . 1 1 7 7 HIS HE1 H 1 8.489 0.001 . . . . . . A 7 HIS HE1 . 34165 1
46 . 1 1 8 8 LE1 H9 H 1 1.137 0.001 . . . . . . A 8 LE1 H9 . 34165 1
47 . 1 1 8 8 LE1 H9A H 1 1.137 0.001 . . . . . . A 8 LE1 H9A . 34165 1
48 . 1 1 8 8 LE1 H9B H 1 1.137 0.001 . . . . . . A 8 LE1 H9B . 34165 1
49 . 1 1 8 8 LE1 HA H 1 4.337 0.003 . . . . . . A 8 LE1 HA . 34165 1
50 . 1 1 8 8 LE1 HN H 1 7.743 0.001 . . . . . . A 8 LE1 HN . 34165 1
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